3,5-DI-Tert-butyl-4-hydroxybenzylamine
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Basic information
- CAS
724-46-9- Standard SMILES
CC(C)(C)c1cc(CN)cc(C(C)(C)C)c1O- InChIKey
HMPSHLKEYWJVJV-UHFFFAOYSA-N- Molecular formula
- C15H25NO
- Average molar mass
- 235.36 g/mol
- Monoisotopic mass
- 235.19361442
Names & identifiers
- Preferred name
- 3,5-DI-Tert-butyl-4-hydroxybenzylamine
- IUPAC
- 4-(aminomethyl)-2,6-ditert-butylphenol
- English name
- 3,5-Di-tert-butyl-4-hydroxybenzylamine
- Molecular formula
- C15H25NO
- Molecular weight
- 235.37
Names & synonyms
724-46-93,5-DI-TERT-BUTYL-4-HYDROXYBENZYLAMINEDTXSID40345003RefChem:271532DTXCID502960774-(aminomethyl)-2,6-di-tert-butylphenol4-(Aminomethyl)-2,6-ditert-butylphenol3.5-Di-tert.-butyl-4-hydroxy-benzylaminPhenol, 2,6-di-t-butyl-4-aminomethyl-Oprea1_412304SCHEMBL1552298SCHEMBL8766624
Show more names
RARECHEM AL BW 0780Phenol, 4-(aMinoMethyl)-2,6-bis(1,1-diMethylethyl)-
SCHEMBL116590344-aminomethyl-2,6-di-t-butylphenolSTK7930243,5-di-t-butyl-4-hydroxybenzylamineAKOS0001277943,5-di-tert.butyl-4-hydroxybenzyl amine4-(aminomethyl)-2,6-ditert-butyl-phenol4-(Aminomethyl)-2,6-ditert-butylphenol #
Database identifiers
- CAS
724-46-9- PubChem CID
- 601078
- DTXSID
DTXSID40345003- Nikkaji
- J1.083.500C
Properties
Computed structural propertiesFilling in
- XLogP
- 3.8
- Topological polar surface area
- 46.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 225
Physicochemical properties
- Melting point
- 158 · 158-159 °C
- Boiling point
- 299.1 · 299.1±35.0 °C(Predicted)
- Density
- 0.975 · 0.975±0.06 g/cm3(Predicted)
- pka
- 8.87 · 8.87±0.70(Predicted)
Related reactions
8 records
Compound notes
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